==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LECTIN 11-JAN-07 2JDN . COMPND 2 MOLECULE: FUCOSE-BINDING LECTIN PA-IIL; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR J.ADAM,M.POKORNA,C.SABIN,E.P.MITCHELL,A.IMBERTY,M.WIMMEROVA . 456 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16095.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 300 65.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 240 52.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 27 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 4 6 0 4 6 3 1 4 0 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A A 0 0 49 0, 0.0 428,-0.1 0, 0.0 305,-0.0 0.000 360.0 360.0 360.0 150.7 12.7 -15.5 17.0 2 2 A T - 0 0 85 427,-0.1 2,-0.3 2,-0.0 3,-0.1 -0.356 360.0-169.8 -59.2 140.2 15.7 -16.8 15.2 3 3 A Q + 0 0 31 1,-0.1 3,-0.1 62,-0.1 73,-0.1 -0.927 56.7 35.7-133.5 154.2 18.8 -14.5 15.7 4 4 A G S S+ 0 0 0 -2,-0.3 61,-2.6 1,-0.2 2,-0.4 0.583 83.0 118.0 80.5 13.8 22.2 -14.4 14.0 5 5 A V E +A 64 0A 26 59,-0.2 2,-0.4 -3,-0.1 -1,-0.2 -0.944 37.9 175.8-115.1 130.2 21.0 -15.3 10.5 6 6 A F E -A 63 0A 4 57,-3.0 57,-2.6 -2,-0.4 2,-0.7 -0.997 27.8-139.4-137.0 142.7 21.4 -12.9 7.7 7 7 A T E -A 62 0A 64 -2,-0.4 55,-0.2 55,-0.2 54,-0.1 -0.879 27.8-175.3-100.8 112.9 20.7 -12.9 3.9 8 8 A L - 0 0 5 53,-3.0 3,-0.1 -2,-0.7 6,-0.0 -0.627 40.7 -82.4 -95.0 163.7 23.6 -11.1 2.1 9 9 A P > - 0 0 61 0, 0.0 3,-0.8 0, 0.0 48,-0.2 -0.398 64.2 -93.7 -60.4 145.8 23.7 -10.4 -1.6 10 10 A A T 3 S+ 0 0 47 1,-0.2 49,-0.2 49,-0.1 48,-0.1 -0.253 101.1 8.3 -62.5 146.9 24.8 -13.6 -3.3 11 11 A N T 3 S+ 0 0 99 47,-2.6 2,-0.4 1,-0.2 -1,-0.2 0.782 94.0 140.1 59.7 34.7 28.5 -14.1 -4.1 12 12 A T < - 0 0 33 -3,-0.8 45,-2.4 46,-0.2 -1,-0.2 -0.916 52.1-123.3-116.8 132.8 29.6 -11.0 -2.2 13 13 A R E +B 56 0A 144 -2,-0.4 100,-0.4 43,-0.2 2,-0.3 -0.476 35.0 178.2 -72.2 142.8 32.7 -10.7 0.1 14 14 A F E -B 55 0A 0 41,-2.5 41,-2.5 -2,-0.1 2,-0.3 -0.982 25.4-122.7-141.6 155.0 32.0 -9.6 3.6 15 15 A G E -BC 54 110A 0 95,-2.7 95,-1.9 -2,-0.3 2,-0.4 -0.773 20.5-169.6 -94.0 143.5 34.0 -9.0 6.8 16 16 A V E +BC 53 109A 0 37,-2.5 37,-2.2 -2,-0.3 2,-0.4 -0.990 9.1 173.5-133.8 130.2 33.4 -10.8 10.0 17 17 A T E -BC 52 108A 0 91,-2.3 91,-2.8 -2,-0.4 2,-0.4 -0.997 11.6-159.2-137.8 134.4 35.0 -9.8 13.3 18 18 A A E -BC 51 107A 0 33,-2.6 32,-2.2 -2,-0.4 33,-1.1 -0.951 3.7-168.7-121.6 143.5 34.5 -11.1 16.8 19 19 A F E -BC 49 106A 0 87,-2.7 87,-2.4 -2,-0.4 2,-0.4 -0.910 13.0-141.0-123.1 150.6 35.2 -9.5 20.2 20 20 A A E +BC 48 105A 0 28,-1.8 27,-1.2 -2,-0.3 28,-0.5 -0.923 24.5 166.0-119.5 141.5 35.1 -11.1 23.7 21 21 A N E + 0 0 0 83,-2.3 24,-0.3 -2,-0.4 2,-0.3 -0.586 50.3 81.6-146.6 72.2 33.9 -9.7 27.0 22 22 A A E S-B 44 0A 5 22,-2.8 22,-0.5 1,-0.1 24,-0.1 -0.979 78.9-110.6-170.0 156.8 33.6 -12.6 29.5 23 23 A S E S+ 0 0 112 -2,-0.3 2,-0.2 20,-0.1 -1,-0.1 0.848 96.2 70.1 -64.1 -35.5 35.4 -14.9 31.9 24 24 A G E S- 0 0 21 1,-0.1 20,-0.3 -3,-0.1 2,-0.3 -0.511 93.7 -97.7 -92.8 153.2 35.0 -17.9 29.6 25 25 A T E - 0 0 78 -2,-0.2 45,-0.5 18,-0.1 2,-0.4 -0.485 38.7-144.8 -62.7 129.0 36.5 -18.8 26.3 26 26 A Q E -BD 42 69A 0 16,-2.9 16,-1.7 -2,-0.3 2,-0.5 -0.830 9.8-162.6 -97.7 133.6 34.2 -17.9 23.4 27 27 A T E -BD 41 68A 45 41,-2.6 41,-2.6 -2,-0.4 2,-0.5 -0.979 9.0-167.0-115.0 121.1 34.0 -20.0 20.3 28 28 A V E -BD 40 67A 0 12,-3.0 12,-2.6 -2,-0.5 2,-0.5 -0.939 2.0-166.1-110.5 123.0 32.3 -18.3 17.3 29 29 A N E -BD 39 66A 38 37,-2.8 37,-2.5 -2,-0.5 2,-0.5 -0.913 3.7-160.4-108.6 132.2 31.3 -20.3 14.3 30 30 A V E -BD 38 65A 0 8,-2.9 7,-3.5 -2,-0.5 8,-1.5 -0.967 11.6-161.8-113.0 120.2 30.4 -18.5 11.0 31 31 A L E -BD 36 64A 20 33,-3.3 33,-2.5 -2,-0.5 2,-0.5 -0.868 10.4-169.4-108.2 132.7 28.3 -20.6 8.6 32 32 A V E > S-BD 35 63A 22 3,-2.5 3,-1.4 -2,-0.4 31,-0.2 -0.985 83.3 -7.3-117.2 126.3 27.9 -19.9 4.9 33 33 A N T 3 S- 0 0 81 29,-2.3 -1,-0.2 -2,-0.5 30,-0.1 0.887 131.5 -58.0 51.1 43.0 25.2 -22.0 3.2 34 34 A N T 3 S+ 0 0 103 28,-0.4 2,-0.4 1,-0.2 -1,-0.3 0.696 117.4 105.7 64.0 23.1 24.8 -24.0 6.4 35 35 A E E < S-B 32 0A 142 -3,-1.4 -3,-2.5 -5,-0.0 2,-0.3 -0.992 81.7-102.0-126.9 144.3 28.5 -25.1 6.6 36 36 A T E +B 31 0A 80 -2,-0.4 -5,-0.3 -5,-0.2 3,-0.1 -0.436 41.9 170.7 -65.5 122.5 31.1 -23.8 8.9 37 37 A A E + 0 0 44 -7,-3.5 2,-0.3 1,-0.4 -6,-0.2 0.643 65.4 7.9-107.2 -26.1 33.2 -21.3 6.9 38 38 A A E -B 30 0A 7 -8,-1.5 -8,-2.9 2,-0.0 -1,-0.4 -0.977 58.1-162.4-152.4 151.6 35.3 -19.8 9.8 39 39 A T E -B 29 0A 77 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.996 8.4-175.5-137.5 131.8 35.8 -20.4 13.5 40 40 A F E +B 28 0A 13 -12,-2.6 -12,-3.0 -2,-0.4 2,-0.3 -0.934 4.8 177.8-119.7 148.7 37.3 -18.0 16.0 41 41 A S E +B 27 0A 74 9,-0.6 2,-0.3 -2,-0.4 -14,-0.2 -0.996 15.9 117.9-148.4 150.2 38.0 -18.6 19.7 42 42 A G E -B 26 0A 18 -16,-1.7 -16,-2.9 -2,-0.3 2,-0.4 -0.955 43.2-112.9 174.0 177.9 39.5 -16.7 22.5 43 43 A Q E + 0 0 99 -2,-0.3 2,-0.3 -18,-0.2 -18,-0.1 -0.997 38.3 141.9-135.4 134.2 39.1 -15.2 25.9 44 44 A S E -B 22 0A 12 -22,-0.5 -22,-2.8 -2,-0.4 3,-0.2 -0.937 35.6-163.7-163.3 145.8 39.0 -11.5 27.0 45 45 A T E S+ 0 0 54 -24,-0.3 -24,-0.1 -2,-0.3 184,-0.1 0.153 92.7 63.8-108.3 15.1 37.2 -9.3 29.5 46 46 A N E S- 0 0 83 -26,-0.2 -25,-0.2 183,-0.1 -1,-0.1 -0.108 116.9 -96.0-132.1 31.9 38.5 -6.2 27.6 47 47 A N E + 0 0 5 -27,-1.2 -26,-0.2 -3,-0.2 -2,-0.0 0.727 58.6 176.3 67.9 24.7 37.0 -6.5 24.1 48 48 A A E -B 20 0A 45 -28,-0.5 -28,-1.8 -29,-0.1 2,-0.7 -0.321 38.0-111.9 -61.7 145.4 39.9 -8.2 22.4 49 49 A V E -B 19 0A 47 -30,-0.2 -30,-0.3 1,-0.2 3,-0.1 -0.699 32.8-175.8 -73.9 116.0 39.4 -9.1 18.8 50 50 A I E - 0 0 26 -32,-2.2 -9,-0.6 -2,-0.7 2,-0.3 0.535 65.7 -8.4 -95.2 -8.5 39.4 -12.9 18.9 51 51 A G E -B 18 0A 13 -33,-1.1 -33,-2.6 -11,-0.2 -1,-0.3 -0.875 52.6-176.1-175.9 155.3 39.2 -13.3 15.1 52 52 A T E +B 17 0A 63 -2,-0.3 2,-0.3 -35,-0.2 -35,-0.2 -0.956 18.7 155.6-154.0 140.9 38.6 -11.4 11.9 53 53 A Q E -B 16 0A 84 -37,-2.2 -37,-2.5 -2,-0.3 2,-0.5 -0.987 37.6-121.4-159.0 158.9 38.4 -12.7 8.4 54 54 A V E +B 15 0A 53 -2,-0.3 2,-0.3 -39,-0.2 -39,-0.2 -0.943 37.4 173.1-105.9 131.2 37.0 -12.0 4.9 55 55 A L E -B 14 0A 20 -41,-2.5 -41,-2.5 -2,-0.5 2,-0.4 -0.824 31.1-117.1-128.2 169.7 34.5 -14.6 3.5 56 56 A N E -B 13 0A 57 -2,-0.3 -43,-0.2 -43,-0.2 -45,-0.1 -0.925 15.3-140.0-109.5 135.4 32.3 -14.9 0.4 57 57 A S > - 0 0 0 -45,-2.4 4,-0.8 -2,-0.4 3,-0.3 0.610 42.3-152.9 -71.0 -13.6 28.5 -15.1 1.0 58 58 A G T 4 - 0 0 21 1,-0.2 -47,-2.6 2,-0.2 3,-0.4 0.030 38.9 -40.6 69.1-171.4 28.2 -17.8 -1.8 59 59 A S T 4 S+ 0 0 96 1,-0.3 -1,-0.2 -49,-0.2 -49,-0.1 0.793 138.7 36.0 -66.2 -30.2 25.4 -18.7 -4.0 60 60 A S T 4 S- 0 0 49 -3,-0.3 -1,-0.3 2,-0.1 -2,-0.2 0.618 92.1-138.7 -96.7 -17.4 22.6 -18.4 -1.5 61 61 A G < + 0 0 0 -4,-0.8 -53,-3.0 -3,-0.4 2,-0.7 0.516 50.1 148.3 67.9 7.5 24.0 -15.5 0.5 62 62 A K E +A 7 0A 54 -55,-0.2 -29,-2.3 -5,-0.2 2,-0.4 -0.643 20.0 176.2 -85.5 115.4 23.0 -17.2 3.8 63 63 A V E -AD 6 32A 0 -57,-2.6 -57,-3.0 -2,-0.7 2,-0.4 -0.939 4.0-176.4-118.9 132.4 25.3 -16.3 6.7 64 64 A Q E -AD 5 31A 43 -33,-2.5 -33,-3.3 -2,-0.4 2,-0.5 -0.994 12.9-153.3-131.3 141.8 24.8 -17.5 10.3 65 65 A V E - 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0 0 21 -7,-0.0 -1,-0.1 128,-0.0 -6,-0.1 0.736 49.9-153.3 -81.4 -18.1 24.9 -7.9 29.2 102 102 A Y + 0 0 12 1,-0.1 -8,-1.0 -9,-0.1 -7,-0.2 0.692 67.0 102.0 57.4 22.9 24.9 -9.7 25.8 103 103 A N B +i 94 0A 0 -10,-0.2 3,-0.3 -82,-0.2 -8,-0.2 0.243 36.6 110.6-115.1 11.7 28.5 -8.7 25.0 104 104 A D S S+ 0 0 5 -10,-1.8 -83,-2.3 1,-0.3 2,-0.4 0.904 100.1 6.9 -65.9 -43.2 30.2 -12.0 25.9 105 105 A A E S-C 20 0A 0 -11,-0.5 -11,-0.4 -85,-0.2 2,-0.4 -0.980 79.0-168.9-125.9 131.0 31.0 -12.5 22.2 106 106 A V E -C 19 0A 0 -87,-2.4 -87,-2.7 -2,-0.4 2,-0.4 -0.960 5.3-164.7-114.5 131.7 30.1 -9.6 20.0 107 107 A V E -CH 18 92A 0 -15,-2.6 -15,-2.6 -2,-0.4 2,-0.5 -0.981 5.6-166.7-124.8 132.5 30.2 -10.2 16.2 108 108 A V E -CH 17 91A 0 -91,-2.8 -91,-2.3 -2,-0.4 2,-0.4 -0.975 3.2-174.4-116.8 123.2 30.3 -7.6 13.5 109 109 A I E -CH 16 90A 0 -19,-2.7 -19,-2.8 -2,-0.5 2,-0.4 -0.964 11.9-178.4-112.9 132.6 29.7 -8.5 9.8 110 110 A N E -CH 15 89A 0 -95,-1.9 -95,-2.7 -2,-0.4 -21,-0.2 -0.988 7.4-140.7-135.9 145.5 30.1 -5.7 7.3 111 111 A W E + H 0 88A 10 -23,-1.8 -23,-2.7 -2,-0.4 2,-0.1 -0.964 58.5 35.3-159.2 161.2 29.7 -5.4 3.5 112 112 A P - 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